SCHEMBL1908018

SCHEMBL1908018

O=C(c1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HIF1A Q16665 1/20 0.51
VCAM1 P19320 2/20 0.49
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48
TTR P02766 3/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CASP6 P55212 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
RECQL P46063 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19194978 0.85 ACHE (0.44) ITGB1ITGA5
SCHEMBL16914900 0.83 MAPK1 (0.51) ALDH1A1VCAM1TTRCASP6MAPT
SCHEMBL4605109 0.82 VCAM1 (0.62) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL17687690 0.82 VCAM1 (0.68) ALDH1A1VCAM1MAPTLMNAMEN1
SCHEMBL1625971 0.82 LMNA (0.66) ALDH1A1CASP6MAPTLMNAMEN1
SCHEMBL20405101 0.81 TTR (0.45) ALDH1A1HIF1AVCAM1TTRCASP6
SCHEMBL8626465 0.81 TTR (0.62) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL24994 0.81 CASP6 (0.70) ALDH1A1HIF1AVCAM1AKR1C2AKR1C1
SCHEMBL9157 0.79 ITGB1 (0.57) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL3476754 0.79 PARP1 (0.65) ALDH1A1HIF1AVCAM1ITGB1ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 US disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 US disclosed
US-20240051952-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-02-15 US disclosed
US-20220177460-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2022-06-09 US disclosed
EP-3952990-A1 HMOX1 INDUCERS Mitobridge, Inc. (US) 2022-02-16 EP disclosed
CN-113874074-A HMOX1 inducers 米托布里奇公司 2021-12-31 CN disclosed
WO-2020210339-A1 HMOX1 INDUCERS MITOBRIDGE, INC. (US) 2020-10-15 WO disclosed
US-10766888-B1 HMOX1 inducers MITOBRIDGE INC. (US) 2020-09-08 US disclosed
EP-3207023-B1 PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
EP-3207023-B1 PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
US-10040745-B2 Process for the preparation of 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone and derivatives thereof SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
EP-3207023-A2 PROCESS FOR THE PREPARATION OF HALO-SUBSTITUTED BENZENES Syngenta Participations AG (CH) 2017-08-23 EP disclosed
US-20170217865-A1 PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2017-08-03 US disclosed
WO-2016058881-A2 PROCESS FOR THE PREPARATION OF HALO-SUBSTITUTED BENZENES SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
WO-2016058881-A2 PROCESS FOR THE PREPARATION OF HALO-SUBSTITUTED BENZENES SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10766888-B1 HMOX1 inducers HMOX1, HMOX2, HMBS ALDH1A1 332/4885HIF1A 271/4885VCAM1 951/4885
US-20170217865-A1 PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE AND DERIVATIVES THEREOF CBR1, CBR3, CYP2F1 ALDH1A1 363/4885HIF1A 64/4885VCAM1 4151/4885
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ALDH1A1 431/4885HIF1A 932/4885VCAM1 455/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ALDH1A1 431/4885HIF1A 932/4885VCAM1 455/4885
US-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS ALDH1A1 332/4885HIF1A 271/4885VCAM1 951/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS ALDH1A1 223/4885HIF1A 244/4885VCAM1 926/4885
US-20240051952-A1 HMOX1 INDUCERS HMOX1, HMOX2, QSOX1 ALDH1A1 266/4885HIF1A 150/4885VCAM1 265/4885
US-10040745-B2 Process for the preparation of 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone and derivatives thereof CBR1, CBR3, CYP2F1 ALDH1A1 363/4885HIF1A 64/4885VCAM1 4151/4885
US-20220177460-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS ALDH1A1 223/4885HIF1A 244/4885VCAM1 926/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.